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CAS 1434128-61-6 5-Boc-3-hydroxy-2-(tetrahydropyran-4-yl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole molecular structure lightbox
CAS RN: 1434128-61-6

5-Boc-3-hydroxy-2-(tetrahydropyran-4-yl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-054848
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1434128-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1434128-61-6 / tert-butyl 2-(oxan-4-yl)-3-oxo-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate

Standard CAS: 1434128-61-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1434128-61-6
Multi CAS
No
Molecular Formula
C15H23N3O4
Molecular Weight
309.360000
Exact Mass
309.168856
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)NN(C2=O)C3CCOCC3
InChI
InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)17-8-11-12(9-17)16-18(13(11)19)10-4-6-21-7-5-10/h10,16H,4-9H2,1-3H3
InChIKey
AIBAJAQOHIDKRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.62
TPSA
76.56

LogP / Solubility

WLOGP
1.78
MLOGP
1.58
XLogP3
0.6
Consensus LogP
1.32
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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